#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xyk n VAL 122 N 0.00 -0.66 -0.01 1.55 3.14 -1.26 -4.75 118.33 116.34 1xyk n VAL 122 Ca 0.00 -3.93 -0.01 0.00 -2.96 0.00 0.00 64.34 57.44 1xyk n VAL 122 Cb 0.00 -1.80 -0.00 0.00 -1.06 0.00 0.00 33.84 30.97 1xyk n VAL 122 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1xyk n GLY 123 N 1.40 -0.02 0.00 7.55 0.00 -1.26 -5.15 105.19 107.71 1xyk n GLY 123 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1xyk n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xyk n GLY 124 N 3.43 1.05 3.30 -0.02 0.00 -1.26 -5.18 105.19 106.51 1xyk n GLY 124 Ca -0.02 -1.46 -0.20 0.00 0.00 0.00 0.00 46.02 44.34 1xyk n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xyk s LEU 125 N 0.00 1.79 0.00 0.99 1.43 -1.26 -5.05 118.68 116.58 1xyk s LEU 125 Ca 0.00 -1.78 0.07 0.00 -1.03 0.00 0.00 54.13 51.39 1xyk s LEU 125 Cb 0.00 0.53 0.41 0.00 0.03 0.00 0.00 46.19 47.16 1xyk s LEU 125 CO 0.00 -1.07 0.81 0.61 0.23 0.00 0.00 176.35 176.93 1xyk n GLY 126 N -0.66 -0.32 0.00 -3.19 0.00 -1.26 -4.79 105.19 94.97 1xyk n GLY 126 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1xyk n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xyk n GLY 127 N -0.31 0.57 3.75 -0.02 0.00 -1.26 -5.09 105.19 102.83 1xyk n GLY 127 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1xyk n GLY 127 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xyk s TYR 128 N -2.00 0.69 0.85 1.61 1.51 -1.26 -5.10 117.35 113.65 1xyk s TYR 128 Ca 0.00 0.30 -0.12 0.00 -1.01 0.00 0.00 57.07 56.25 1xyk s TYR 128 Cb 0.00 -3.87 0.14 0.00 -0.11 0.00 0.00 41.96 38.12 1xyk s TYR 128 CO 0.00 -3.49 1.20 -1.64 -1.11 0.00 0.00 175.55 170.51 1xyk s MET 129 N -5.73 1.36 -0.11 -0.62 -1.94 -0.36 -4.91 119.30 106.98 1xyk s MET 129 Ca 0.74 -0.32 -0.02 0.00 -1.71 0.00 0.00 55.69 54.38 1xyk s MET 129 Cb -0.05 -1.98 0.04 0.00 2.01 0.00 0.00 34.83 34.85 1xyk s MET 129 CO 0.55 -1.90 0.03 -1.17 -0.01 0.00 0.00 175.02 172.52 1xyk s LEU 130 N -5.63 0.60 1.12 -0.03 1.98 -1.26 -2.94 118.68 112.52 1xyk s LEU 130 Ca 0.68 -0.31 -0.13 0.00 -2.89 0.00 0.00 54.13 51.48 1xyk s LEU 130 Cb -0.07 -0.39 0.25 0.00 0.66 0.00 0.00 46.19 46.64 1xyk s LEU 130 CO 0.50 -0.25 1.05 -0.83 -1.89 0.00 0.00 176.35 174.93 1xyk s GLY 131 N 2.01 1.54 1.15 7.98 0.00 0.35 -5.01 107.32 115.34 1xyk s GLY 131 Ca 0.03 -0.33 -0.13 0.00 0.00 0.00 0.00 44.72 44.30 1xyk s GLY 131 CO -0.06 0.38 1.04 -1.35 0.00 0.00 0.00 173.10 173.10 1xyk s SER 132 N -3.02 1.11 -0.36 1.64 1.04 -1.26 -4.65 113.70 108.19 1xyk s SER 132 Ca 0.67 1.58 -0.06 0.00 0.48 0.00 0.00 55.95 58.62 1xyk s SER 132 Cb -0.21 -2.33 0.06 0.00 0.10 0.00 0.00 66.02 63.64 1xyk s SER 132 CO 0.61 -4.13 0.14 0.00 0.98 0.00 0.00 173.24 170.84 1xyk s ALA 133 N -2.48 3.09 0.76 5.32 0.00 -1.26 -4.20 121.76 122.99 1xyk s ALA 133 Ca 0.68 -1.94 0.00 0.00 0.00 0.00 0.00 51.96 50.71 1xyk s ALA 133 Cb -0.25 -2.34 0.00 0.00 0.00 0.00 0.00 23.12 20.53 1xyk s ALA 133 CO 0.64 -1.46 0.00 -1.33 0.00 0.00 0.00 175.76 173.61 1xyk n MET 134 N 4.79 2.27 -3.91 0.00 2.81 -1.08 -5.03 117.12 116.96 1xyk n MET 134 Ca -0.11 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.46 1xyk n MET 134 Cb 0.44 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.90 1xyk n MET 134 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1xyk s SER 135 N -1.00 6.35 -0.62 7.83 0.15 -1.26 -4.96 113.70 120.19 1xyk s SER 135 Ca 0.00 0.30 -0.23 0.00 0.70 0.00 0.00 55.95 56.72 1xyk s SER 135 Cb 0.00 -1.97 -0.15 0.00 -1.71 0.00 0.00 66.02 62.19 1xyk s SER 135 CO 0.00 0.22 1.78 -2.11 1.20 0.00 0.00 173.24 174.32 1xyk n ARG 136 N 0.61 0.00 -2.38 5.44 1.85 -1.26 -4.93 116.66 115.99 1xyk n ARG 136 Ca -0.08 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.36 1xyk n ARG 136 Cb 0.52 -1.03 -0.04 0.00 -1.05 0.00 0.00 32.46 30.86 1xyk n ARG 136 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1xyk s PRO 137 N 5.78 4.52 -0.36 2.89 0.04 -1.26 -5.01 135.00 141.60 1xyk s PRO 137 Ca 0.91 1.88 -0.03 0.00 0.04 0.00 0.00 61.00 63.80 1xyk s PRO 137 Cb -0.90 -3.21 0.08 0.00 0.04 0.00 0.00 34.50 30.51 1xyk s PRO 137 CO 0.36 -0.01 0.12 -1.17 0.04 0.00 0.00 177.00 176.34 1xyk s LEU 138 N -0.69 4.64 -0.05 -3.56 1.98 -1.26 -5.01 118.68 114.73 1xyk s LEU 138 Ca 0.50 -1.60 -0.20 0.00 -2.89 0.00 0.00 54.13 49.94 1xyk s LEU 138 Cb -0.33 -1.81 -0.05 0.00 0.66 0.00 0.00 46.19 44.67 1xyk s LEU 138 CO 0.39 -0.41 0.56 -0.63 -1.89 0.00 0.00 176.35 174.37 1xyk s ILE 139 N 1.24 5.03 0.51 6.68 1.09 -1.26 -5.08 121.20 129.41 1xyk s ILE 139 Ca 0.02 1.16 -0.20 0.00 -1.10 0.00 0.00 60.65 60.52 1xyk s ILE 139 Cb -0.21 -3.90 -0.07 0.00 -1.06 0.00 0.00 42.46 37.22 1xyk s ILE 139 CO -0.02 0.37 1.10 -1.38 -0.10 0.00 0.00 174.94 174.91 1xyk s HIS 140 N 0.19 2.84 -0.03 3.97 -3.43 -1.26 -4.91 115.29 112.66 1xyk s HIS 140 Ca 0.30 1.56 0.03 0.00 -0.80 0.00 0.00 55.06 56.15 1xyk s HIS 140 Cb -0.17 -3.21 -0.05 0.00 -1.43 0.00 0.00 32.58 27.72 1xyk s HIS 140 CO 0.15 -1.25 0.08 1.19 -2.00 0.00 0.00 174.74 172.91 1xyk n PHE 141 N -1.02 0.00 0.00 0.38 3.01 -1.26 -5.04 117.46 113.53 1xyk n PHE 141 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.56 1xyk n PHE 141 Cb 0.51 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.92 1xyk n PHE 141 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xyk n GLY 142 N 2.11 2.83 1.33 1.37 0.00 -1.26 -4.98 105.19 106.58 1xyk n GLY 142 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 1xyk n GLY 142 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xyk n ASN 143 N 0.00 -1.41 -0.03 1.61 0.23 -1.26 -5.05 115.26 109.34 1xyk n ASN 143 Ca 0.00 -0.75 -0.02 0.00 -0.53 0.00 0.00 54.58 53.28 1xyk n ASN 143 Cb 0.00 -0.38 -0.08 0.00 -2.08 0.00 0.00 39.78 37.24 1xyk n ASN 143 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1xyk n ASP 144 N -3.70 2.65 0.20 0.53 2.03 -1.26 -4.57 116.55 112.43 1xyk n ASP 144 Ca 0.06 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.29 1xyk n ASP 144 Cb 0.22 0.97 -0.04 0.00 -0.72 0.00 0.00 41.12 41.56 1xyk n ASP 144 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 1xyk h TYR 145 N 0.00 -0.49 -0.10 -0.67 3.20 -1.98 0.11 116.97 117.04 1xyk h TYR 145 Ca -0.18 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.64 1xyk h TYR 145 Cb 1.23 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.66 1xyk h TYR 145 CO 0.00 -0.30 -0.14 0.93 -1.64 0.00 0.00 178.16 177.01 1xyk h GLU 146 N -0.51 0.15 0.01 1.82 5.08 -1.98 0.20 114.58 119.35 1xyk h GLU 146 Ca -0.05 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1xyk h GLU 146 Cb 0.39 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1xyk h GLU 146 CO 0.08 0.30 -0.01 -0.44 -1.00 0.00 0.00 179.01 177.94 1xyk h ASP 147 N 0.15 -0.03 -0.07 1.42 3.32 -1.80 -3.35 116.42 116.06 1xyk h ASP 147 Ca 0.03 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.92 1xyk h ASP 147 Cb 0.35 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 1xyk h ASP 147 CO 0.02 -0.01 -0.54 -0.09 -1.72 0.00 0.00 179.24 176.90 1xyk h ARG 148 N -0.02 0.65 -0.51 3.56 2.43 -0.14 -1.73 114.38 118.63 1xyk h ARG 148 Ca -0.00 -0.41 0.13 0.00 -0.81 0.00 0.00 59.98 58.90 1xyk h ARG 148 Cb 0.02 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1xyk h ARG 148 CO -0.00 1.02 0.36 -0.92 -1.51 0.00 0.00 179.97 178.92 1xyk h TYR 149 N 0.50 0.10 0.06 2.20 3.20 -0.78 -0.32 116.97 121.93 1xyk h TYR 149 Ca 0.01 0.00 -0.33 0.00 3.14 0.00 0.00 58.73 61.55 1xyk h TYR 149 Cb 1.10 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 39.30 1xyk h TYR 149 CO 0.05 0.04 -1.85 0.66 -1.64 0.00 0.00 178.16 175.42 1xyk n TYR 150 N -4.41 0.93 0.16 -3.82 4.02 -1.18 -4.48 117.16 108.38 1xyk n TYR 150 Ca 0.09 0.27 0.17 0.00 -0.01 0.00 0.00 57.90 58.43 1xyk n TYR 150 Cb 0.52 -1.11 0.78 0.00 -0.02 0.00 0.00 39.34 39.51 1xyk n TYR 150 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1xyk h ARG 151 N -0.39 0.00 -0.81 -0.72 1.12 -0.27 0.11 114.38 113.42 1xyk h ARG 151 Ca -0.44 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.39 1xyk h ARG 151 Cb 1.74 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 31.66 1xyk h ARG 151 CO -0.08 0.00 0.37 0.93 -3.11 0.00 0.00 179.97 178.08 1xyk h GLU 152 N 0.00 1.18 0.00 0.20 5.08 -1.33 -3.38 114.58 116.33 1xyk h GLU 152 Ca 0.12 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1xyk h GLU 152 Cb 0.61 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1xyk h GLU 152 CO -0.00 0.93 -0.38 0.27 -1.00 0.00 0.00 179.01 178.82 1xyk n ASN 153 N -4.32 0.02 0.00 1.42 6.94 -0.35 -4.89 115.26 114.08 1xyk n ASN 153 Ca 0.08 -1.78 0.20 0.00 -0.02 0.00 0.00 54.58 53.06 1xyk n ASN 153 Cb 0.15 -0.16 0.69 0.00 -2.36 0.00 0.00 39.78 38.11 1xyk n ASN 153 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xyk h MET 154 N 0.00 0.00 0.00 -3.83 -0.00 -1.03 -2.78 114.93 107.29 1xyk h MET 154 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1xyk h MET 154 Cb 1.30 -0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.90 1xyk h MET 154 CO 0.00 0.00 0.00 2.48 -0.00 0.00 0.00 176.91 179.39 1xyk n TYR 155 N -4.38 0.00 0.82 -0.10 4.11 -1.26 -1.94 117.16 114.41 1xyk n TYR 155 Ca 0.10 0.00 0.09 0.00 -0.00 0.00 0.00 57.90 58.08 1xyk n TYR 155 Cb 0.60 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.89 1xyk n TYR 155 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1xyk n ARG 156 N -0.72 1.40 -1.88 -3.48 1.74 -1.05 -5.04 116.66 107.63 1xyk n ARG 156 Ca 0.03 -0.49 -0.30 0.00 -0.77 0.00 0.00 57.85 56.32 1xyk n ARG 156 Cb 0.01 -1.34 0.16 0.00 -1.02 0.00 0.00 32.46 30.28 1xyk n ARG 156 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 1xyk s TYR 157 N -2.35 1.89 0.30 -1.55 -0.85 -0.82 -5.02 117.35 108.95 1xyk s TYR 157 Ca 0.11 0.44 -0.29 0.00 -0.52 0.00 0.00 57.07 56.81 1xyk s TYR 157 Cb 0.14 -3.93 -0.10 0.00 0.38 0.00 0.00 41.96 38.45 1xyk s TYR 157 CO 0.58 -2.49 1.15 -1.25 -1.52 0.00 0.00 175.55 172.01 1xyk s PRO 158 N -5.78 4.55 -0.35 -3.49 0.04 -1.26 -4.94 135.00 123.77 1xyk s PRO 158 Ca 0.71 1.89 0.06 0.00 0.04 0.00 0.00 61.00 63.70 1xyk s PRO 158 Cb -0.06 -3.14 0.46 0.00 0.04 0.00 0.00 34.50 31.80 1xyk s PRO 158 CO 0.52 0.10 1.35 -0.40 0.04 0.00 0.00 177.00 178.62 1xyk n ASP 159 N 1.05 5.12 -4.21 6.66 5.68 -1.26 -4.99 116.55 124.60 1xyk n ASP 159 Ca -0.01 -3.77 -0.16 0.00 -0.50 0.00 0.00 54.79 50.36 1xyk n ASP 159 Cb 0.44 -0.47 -0.11 0.00 -1.14 0.00 0.00 41.12 39.84 1xyk n ASP 159 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1xyk s GLN 160 N -3.60 0.94 0.28 0.11 -0.21 -1.26 -2.62 119.66 113.29 1xyk s GLN 160 Ca 0.52 -1.21 0.02 0.00 0.02 0.00 0.00 55.36 54.71 1xyk s GLN 160 Cb 0.42 -0.71 -0.04 0.00 1.00 0.00 0.00 33.01 33.68 1xyk s GLN 160 CO 0.02 0.12 0.14 0.14 -2.12 0.00 0.00 175.29 173.59 1xyk s VAL 161 N -2.35 0.37 -0.07 1.09 -7.23 -1.26 -4.98 120.40 105.97 1xyk s VAL 161 Ca 0.08 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.25 1xyk s VAL 161 Cb -0.04 -2.55 0.02 0.00 0.56 0.00 0.00 36.38 34.37 1xyk s VAL 161 CO 0.01 0.00 -0.07 -0.31 -0.31 0.00 0.00 175.10 174.43 1xyk s TYR 162 N -3.71 1.11 0.08 2.82 2.02 -1.26 -0.49 117.35 117.92 1xyk s TYR 162 Ca 0.37 -0.42 0.01 0.00 -0.37 0.00 0.00 57.07 56.66 1xyk s TYR 162 Cb 0.06 -0.93 -0.00 0.00 -0.40 0.00 0.00 41.96 40.69 1xyk s TYR 162 CO 0.16 -0.30 0.09 2.48 -1.57 0.00 0.00 175.55 176.40 1xyk n TYR 163 N 4.31 -0.42 -4.30 2.71 4.11 -1.15 -4.69 117.16 117.73 1xyk n TYR 163 Ca -0.19 -0.59 -0.16 0.00 -0.00 0.00 0.00 57.90 56.95 1xyk n TYR 163 Cb 0.51 0.10 -0.10 0.00 -0.00 0.00 0.00 39.34 39.84 1xyk n TYR 163 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 1xyk s ARG 164 N -2.25 1.21 -0.93 -3.48 3.00 -1.26 -1.23 118.95 114.01 1xyk s ARG 164 Ca 0.08 -1.54 -0.24 0.00 0.00 0.00 0.00 55.73 54.03 1xyk s ARG 164 Cb 0.00 -0.84 -0.00 0.00 0.00 0.00 0.00 34.95 34.11 1xyk s ARG 164 CO 0.06 0.10 1.72 -1.25 0.00 0.00 0.00 175.30 175.93 1xyk s PRO 165 N -3.71 3.00 -0.02 3.54 0.04 -1.26 -4.75 135.00 131.84 1xyk s PRO 165 Ca 0.20 -0.57 -0.20 0.00 0.04 0.00 0.00 61.00 60.47 1xyk s PRO 165 Cb 0.02 -5.11 -0.31 0.00 0.04 0.00 0.00 34.50 29.13 1xyk s PRO 165 CO 0.04 -2.83 0.96 -0.24 0.04 0.00 0.00 177.00 174.97 1xyk h VAL 166 N 7.01 1.43 -6.33 -0.36 3.04 -2.04 -3.48 116.25 115.52 1xyk h VAL 166 Ca 0.10 -2.51 -0.47 0.00 -1.01 0.00 0.00 66.70 62.81 1xyk h VAL 166 Cb 1.02 3.05 -0.03 0.00 -2.01 0.00 0.00 31.29 33.32 1xyk h VAL 166 CO 1.30 0.73 -0.82 0.47 -1.01 0.00 0.00 177.57 178.24 1xyk n ASP 167 N -4.02 -2.49 -3.56 3.17 8.00 -1.26 -4.95 116.55 111.44 1xyk n ASP 167 Ca -0.14 -0.87 -0.04 0.00 0.71 0.00 0.00 54.79 54.45 1xyk n ASP 167 Cb 0.88 -3.62 -0.00 0.00 -0.02 0.00 0.00 41.12 38.36 1xyk n ASP 167 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1xyk s GLN 168 N -6.44 1.39 -1.26 -1.24 0.74 -1.26 -5.04 119.66 106.55 1xyk s GLN 168 Ca 0.32 -0.83 -0.18 0.00 0.05 0.00 0.00 55.36 54.73 1xyk s GLN 168 Cb -0.16 0.44 0.01 0.00 1.10 0.00 0.00 33.01 34.39 1xyk s GLN 168 CO 0.85 -0.64 0.61 0.66 -0.55 0.00 0.00 175.29 176.21 1xyk n TYR 169 N -0.54 -1.65 -1.50 1.67 4.01 -1.26 -4.72 117.16 113.17 1xyk n TYR 169 Ca -0.05 0.43 -0.15 0.00 -0.16 0.00 0.00 57.90 57.97 1xyk n TYR 169 Cb 0.60 -3.28 -0.12 0.00 -0.31 0.00 0.00 39.34 36.23 1xyk n TYR 169 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1xyk n SER 170 N -2.63 0.40 -3.48 7.72 3.41 -1.26 -1.81 113.62 115.98 1xyk n SER 170 Ca -0.17 -1.31 -0.21 0.00 -0.26 0.00 0.00 58.87 56.92 1xyk n SER 170 Cb 0.62 -1.23 0.03 0.00 -0.26 0.00 0.00 64.21 63.37 1xyk n SER 170 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1xyk n ASN 171 N 13.60 -6.08 0.00 4.04 3.02 -1.26 -5.04 115.26 123.55 1xyk n ASN 171 Ca 0.49 -0.75 0.00 0.00 -0.03 0.00 0.00 54.58 54.29 1xyk n ASN 171 Cb 0.35 -3.95 0.00 0.00 -0.61 0.00 0.00 39.78 35.57 1xyk n ASN 171 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1xyk n GLN 172 N -3.29 0.00 0.01 3.52 -0.06 -0.75 -5.07 117.38 111.73 1xyk n GLN 172 Ca -0.10 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.90 1xyk n GLN 172 Cb 0.59 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.77 1xyk n GLN 172 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 1xyk n ASN 173 N 0.00 0.06 0.15 1.69 4.05 -1.26 -4.85 115.26 115.10 1xyk n ASN 173 Ca 0.00 0.02 0.18 0.00 0.45 0.00 0.00 54.58 55.23 1xyk n ASN 173 Cb 0.00 -0.01 0.78 0.00 1.23 0.00 0.00 39.78 41.78 1xyk n ASN 173 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1xyk h ASN 174 N 0.00 0.00 -0.96 1.20 -1.07 -1.98 -2.69 115.58 110.09 1xyk h ASN 174 Ca 0.00 0.00 0.10 0.00 0.07 0.00 0.00 56.30 56.47 1xyk h ASN 174 Cb 0.00 0.00 -0.08 0.00 -2.07 0.00 0.00 38.32 36.17 1xyk h ASN 174 CO 0.00 0.00 0.59 2.19 0.07 0.00 0.00 177.43 180.28 1xyk h PHE 175 N 0.00 1.08 -0.03 4.14 -0.00 -1.89 -0.44 116.94 119.79 1xyk h PHE 175 Ca 0.14 0.03 -0.06 0.00 -0.00 0.00 0.00 57.97 58.08 1xyk h PHE 175 Cb 0.72 -0.34 0.00 0.00 -0.00 0.00 0.00 35.95 36.33 1xyk h PHE 175 CO 0.00 0.46 -0.22 -0.39 -0.00 0.00 0.00 178.31 178.15 1xyk h VAL 176 N 0.97 1.48 -0.17 0.88 -1.51 -1.84 -3.16 116.25 112.90 1xyk h VAL 176 Ca 0.46 -1.74 0.05 0.00 -1.23 0.00 0.00 66.70 64.24 1xyk h VAL 176 Cb 0.40 2.51 -0.07 0.00 -2.13 0.00 0.00 31.29 32.00 1xyk h VAL 176 CO -0.24 0.48 -0.31 -0.09 -1.23 0.00 0.00 177.57 176.17 1xyk h ARG 177 N -0.37 -0.35 0.00 5.19 2.43 -1.48 0.27 114.38 120.07 1xyk h ARG 177 Ca -0.02 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1xyk h ARG 177 Cb 0.90 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 1xyk h ARG 177 CO 0.05 -0.23 0.00 -3.47 -1.51 0.00 0.00 179.97 174.80 1xyk n ASP 178 N -5.41 0.00 -0.06 -3.80 2.03 -0.23 -0.76 116.55 108.32 1xyk n ASP 178 Ca -0.02 -0.70 -0.11 0.00 0.52 0.00 0.00 54.79 54.48 1xyk n ASP 178 Cb 0.32 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.68 1xyk n ASP 178 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xyk h VAL 180 N -0.29 0.83 -0.96 0.00 2.07 -0.46 -0.64 116.25 116.80 1xyk h VAL 180 Ca -0.27 -0.31 0.08 0.00 0.82 0.00 0.00 66.70 67.02 1xyk h VAL 180 Cb 1.28 -0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 30.84 1xyk h VAL 180 CO -0.14 0.16 0.62 0.78 0.02 0.00 0.00 177.57 179.02 1xyk h ASN 181 N 0.90 0.94 0.29 0.57 -0.26 -1.15 -0.54 115.58 116.32 1xyk h ASN 181 Ca 0.53 0.02 -0.32 0.00 -0.56 0.00 0.00 56.30 55.97 1xyk h ASN 181 Cb 0.66 -0.18 -0.06 0.00 -1.06 0.00 0.00 38.32 37.68 1xyk h ASN 181 CO -0.31 0.58 -1.99 -0.38 -1.06 0.00 0.00 177.43 174.27 1xyk n ILE 182 N -4.52 1.50 0.23 2.81 2.08 -0.59 -1.61 119.36 119.26 1xyk n ILE 182 Ca 0.16 -0.82 -0.15 0.00 0.56 0.00 0.00 62.75 62.49 1xyk n ILE 182 Cb 0.24 -0.78 -0.08 0.00 -0.75 0.00 0.00 39.64 38.27 1xyk n ILE 182 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 1xyk h THR 183 N 0.00 0.61 -0.54 1.39 2.02 -1.09 -1.30 112.91 113.99 1xyk h THR 183 Ca -0.39 -0.09 -0.05 0.00 0.77 0.00 0.00 66.41 66.64 1xyk h THR 183 Cb 2.10 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 69.14 1xyk h THR 183 CO 0.06 0.02 0.12 1.62 0.37 0.00 0.00 175.52 177.71 1xyk h VAL 184 N -0.59 1.23 -0.21 3.16 3.04 -1.15 -2.23 116.25 119.49 1xyk h VAL 184 Ca -0.06 -0.84 0.03 0.00 -1.01 0.00 0.00 66.70 64.83 1xyk h VAL 184 Cb 0.44 0.68 -0.03 0.00 -2.01 0.00 0.00 31.29 30.37 1xyk h VAL 184 CO 0.09 0.31 0.01 0.11 -1.01 0.00 0.00 177.57 177.08 1xyk h LYS 185 N 0.81 0.08 0.00 4.17 1.57 -1.28 0.25 116.57 122.16 1xyk h LYS 185 Ca 0.18 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1xyk h LYS 185 Cb 0.31 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1xyk h LYS 185 CO 0.00 0.05 0.00 1.04 -0.57 0.00 0.00 179.45 179.97 1xyk n GLN 186 N -5.13 0.28 -0.06 3.15 6.02 -0.50 -1.80 117.38 119.34 1xyk n GLN 186 Ca -0.02 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.90 1xyk n GLN 186 Cb 0.11 -1.44 -0.08 0.00 1.02 0.00 0.00 30.24 29.85 1xyk n GLN 186 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1xyk n HIS 187 N -0.94 0.00 -0.03 1.08 8.25 0.11 -4.37 115.22 119.32 1xyk n HIS 187 Ca 0.06 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.41 1xyk n HIS 187 Cb 0.03 -0.53 -0.05 0.00 1.12 0.00 0.00 29.99 30.55 1xyk n HIS 187 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1xyk h THR 188 N 0.00 1.13 -0.22 1.59 1.35 0.18 0.86 112.91 117.80 1xyk h THR 188 Ca -0.30 -0.38 -0.05 0.00 -0.55 0.00 0.00 66.41 65.13 1xyk h THR 188 Cb 1.61 1.15 -0.01 0.00 -1.73 0.00 0.00 68.15 69.17 1xyk h THR 188 CO -0.00 0.12 -0.05 0.58 -0.25 0.00 0.00 175.52 175.91 1xyk h VAL 189 N 0.07 1.28 -0.22 6.82 2.07 -1.77 -1.65 116.25 122.85 1xyk h VAL 189 Ca 0.04 -1.04 0.05 0.00 0.82 0.00 0.00 66.70 66.57 1xyk h VAL 189 Cb 0.14 1.51 -0.07 0.00 -1.52 0.00 0.00 31.29 31.34 1xyk h VAL 189 CO -0.00 0.32 -0.46 0.74 0.02 0.00 0.00 177.57 178.19 1xyk h THR 190 N 0.16 0.10 -0.51 2.57 2.02 -1.74 -0.01 112.91 115.50 1xyk h THR 190 Ca 0.06 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.16 1xyk h THR 190 Cb 0.50 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 1xyk h THR 190 CO 0.02 0.00 0.01 0.71 0.37 0.00 0.00 175.52 176.63 1xyk h THR 191 N -0.46 1.25 0.00 3.16 1.35 -0.74 0.20 112.91 117.67 1xyk h THR 191 Ca 0.08 -1.02 -0.01 0.00 -0.55 0.00 0.00 66.41 64.91 1xyk h THR 191 Cb 0.63 0.84 -0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1xyk h THR 191 CO -0.47 0.36 -0.06 0.74 -0.25 0.00 0.00 175.52 175.85 1xyk h THR 192 N 0.79 0.19 0.13 6.82 2.02 -0.79 0.55 112.91 122.63 1xyk h THR 192 Ca 0.15 -0.53 -0.22 0.00 0.77 0.00 0.00 66.41 66.59 1xyk h THR 192 Cb 0.46 1.44 0.01 0.00 -1.74 0.00 0.00 68.15 68.32 1xyk h THR 192 CO 0.02 0.06 -1.02 0.74 0.37 0.00 0.00 175.52 175.69 1xyk h THR 193 N 0.00 1.35 0.13 3.16 2.02 0.26 -3.42 112.91 116.42 1xyk h THR 193 Ca -0.00 -2.49 -0.33 0.00 0.77 0.00 0.00 66.41 64.35 1xyk h THR 193 Cb 0.43 3.04 -0.01 0.00 -1.74 0.00 0.00 68.15 69.87 1xyk h THR 193 CO 0.01 0.71 -1.72 0.11 0.37 0.00 0.00 175.52 175.00 1xyk h LYS 194 N -0.36 0.28 0.00 6.66 1.79 -0.28 -3.50 116.57 121.17 1xyk h LYS 194 Ca -0.20 -0.48 0.00 0.00 -2.18 0.00 0.00 60.65 57.79 1xyk h LYS 194 Cb 1.68 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 32.51 1xyk h LYS 194 CO 0.12 1.15 0.00 0.41 -1.08 0.00 0.00 179.45 180.05 1xyk n GLY 195 N 1.79 0.51 0.00 3.86 0.00 0.15 -5.07 105.19 106.44 1xyk n GLY 195 Ca -0.22 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1xyk n GLY 195 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xyk n GLU 196 N 0.46 0.00 -4.19 1.61 2.13 -1.12 -5.00 120.64 114.54 1xyk n GLU 196 Ca 0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 1xyk n GLU 196 Cb 0.00 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.62 1xyk n GLU 196 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1xyk s ASN 197 N -0.07 0.48 0.04 4.31 0.02 -1.26 -4.92 114.94 113.54 1xyk s ASN 197 Ca 0.00 -1.42 0.04 0.00 -1.02 0.00 0.00 52.86 50.45 1xyk s ASN 197 Cb 0.00 0.46 -0.02 0.00 0.02 0.00 0.00 41.25 41.70 1xyk s ASN 197 CO 0.00 -0.95 -0.11 -0.36 0.02 0.00 0.00 177.10 175.71 1xyk s PHE 198 N -3.93 0.93 0.04 2.20 0.40 -1.26 -5.11 117.98 111.26 1xyk s PHE 198 Ca 0.37 -0.41 0.03 0.00 -0.60 0.00 0.00 56.93 56.32 1xyk s PHE 198 Cb 0.05 -0.55 -0.02 0.00 0.51 0.00 0.00 43.02 43.01 1xyk s PHE 198 CO 0.15 -0.01 -0.09 0.95 0.70 0.00 0.00 175.22 176.93 1xyk s THR 199 N -1.09 0.65 0.32 0.64 -4.23 -1.26 -5.06 115.64 105.60 1xyk s THR 199 Ca -0.04 -1.04 0.00 0.00 -1.18 0.00 0.00 61.69 59.44 1xyk s THR 199 Cb -0.09 -0.68 0.22 0.00 1.34 0.00 0.00 72.50 73.30 1xyk s THR 199 CO 0.01 -0.29 1.93 1.05 -0.54 0.00 0.00 174.62 176.78 1xyk h GLU 200 N 4.62 0.86 0.45 3.99 9.09 -2.02 -0.17 114.58 131.41 1xyk h GLU 200 Ca -0.36 -0.10 -0.01 0.00 0.05 0.00 0.00 59.36 58.94 1xyk h GLU 200 Cb 1.20 -0.17 -0.02 0.00 -1.65 0.00 0.00 28.75 28.11 1xyk h GLU 200 CO 0.42 0.65 -0.39 1.15 0.05 0.00 0.00 179.01 180.89 1xyk h THR 201 N 0.87 0.21 -0.59 -1.06 2.02 -2.00 -1.19 112.91 111.17 1xyk h THR 201 Ca 0.22 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.41 1xyk h THR 201 Cb 0.05 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 66.64 1xyk h THR 201 CO -0.03 0.00 0.39 -0.78 0.37 0.00 0.00 175.52 175.46 1xyk h ASP 202 N -0.84 0.66 -0.74 4.18 3.58 -1.87 -2.01 116.42 119.39 1xyk h ASP 202 Ca -0.04 -0.01 0.06 0.00 0.42 0.00 0.00 57.03 57.46 1xyk h ASP 202 Cb 0.73 -0.16 -0.05 0.00 1.72 0.00 0.00 39.33 41.57 1xyk h ASP 202 CO -0.03 0.47 0.48 0.24 -2.88 0.00 0.00 179.24 177.53 1xyk h MET 203 N 0.78 0.75 0.44 0.28 2.86 -0.92 0.26 114.93 119.38 1xyk h MET 203 Ca 0.22 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 1xyk h MET 203 Cb -0.06 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.43 1xyk h MET 203 CO -0.06 0.50 -0.25 -0.22 1.06 0.00 0.00 176.91 177.93 1xyk h LYS 204 N 0.77 -0.63 -0.30 1.72 1.63 -0.45 -1.41 116.57 117.90 1xyk h LYS 204 Ca 0.32 0.04 -0.13 0.00 -0.85 0.00 0.00 60.65 60.03 1xyk h LYS 204 Cb 0.26 0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 1xyk h LYS 204 CO -0.11 -0.42 -0.36 0.82 -3.45 0.00 0.00 179.45 175.94 1xyk h ILE 205 N -0.66 1.29 -0.41 2.00 2.04 -1.26 -2.91 117.51 117.59 1xyk h ILE 205 Ca -0.05 -1.51 0.04 0.00 1.00 0.00 0.00 64.86 64.33 1xyk h ILE 205 Cb 0.53 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 38.01 1xyk h ILE 205 CO 0.06 0.49 0.19 0.24 0.00 0.00 0.00 178.15 179.13 1xyk h MET 206 N 0.57 0.38 0.31 2.37 2.86 -0.36 -0.14 114.93 120.93 1xyk h MET 206 Ca 0.06 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1xyk h MET 206 Cb 0.88 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.45 1xyk h MET 206 CO 0.08 0.25 -0.18 1.49 1.06 0.00 0.00 176.91 179.60 1xyk h GLU 207 N 0.39 -0.46 -0.34 1.72 4.81 -1.19 -0.81 114.58 118.70 1xyk h GLU 207 Ca 0.18 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.51 1xyk h GLU 207 Cb 0.11 0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.53 1xyk h GLU 207 CO -0.14 -0.31 -0.10 0.00 -0.73 0.00 0.00 179.01 177.73 1xyk h ARG 208 N -0.48 -0.02 0.08 1.92 -0.00 -1.20 0.27 114.38 114.95 1xyk h ARG 208 Ca -0.03 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.44 1xyk h ARG 208 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.36 1xyk h ARG 208 CO 0.04 -0.01 -0.04 0.28 0.00 0.00 0.00 179.97 180.24 1xyk h VAL 209 N -0.02 1.20 -0.67 2.04 2.07 -1.01 -0.98 116.25 118.89 1xyk h VAL 209 Ca 0.17 -1.22 0.05 0.00 0.82 0.00 0.00 66.70 66.51 1xyk h VAL 209 Cb 0.27 1.96 -0.05 0.00 -1.52 0.00 0.00 31.29 31.96 1xyk h VAL 209 CO -0.36 0.29 0.40 0.58 0.02 0.00 0.00 177.57 178.49 1xyk h VAL 210 N -0.68 1.02 0.07 2.57 2.07 -1.01 0.18 116.25 120.46 1xyk h VAL 210 Ca -0.01 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.27 1xyk h VAL 210 Cb 0.55 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1xyk h VAL 210 CO 0.02 0.14 -0.22 -0.08 0.02 0.00 0.00 177.57 177.44 1xyk h GLU 211 N 0.75 -0.37 -0.45 1.57 4.81 -0.41 0.83 114.58 121.30 1xyk h GLU 211 Ca 0.29 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.56 1xyk h GLU 211 Cb 0.11 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 1xyk h GLU 211 CO -0.15 -0.25 0.27 0.37 -0.73 0.00 0.00 179.01 178.53 1xyk h GLN 212 N -0.38 0.53 -0.94 1.92 4.15 -0.75 -2.38 115.11 117.25 1xyk h GLN 212 Ca 0.04 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.44 1xyk h GLN 212 Cb 0.43 -0.12 -0.05 0.00 0.21 0.00 0.00 27.48 27.95 1xyk h GLN 212 CO -0.15 0.35 0.62 0.52 -1.93 0.00 0.00 178.83 178.24 1xyk h MET 213 N 0.55 1.24 0.19 1.69 2.86 0.30 0.37 114.93 122.13 1xyk h MET 213 Ca 0.18 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1xyk h MET 213 Cb 0.00 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 31.36 1xyk h MET 213 CO -0.08 0.82 -0.22 0.00 1.06 0.00 0.00 176.91 178.49 1xyk h VAL 215 N -0.46 1.11 -0.22 0.00 2.07 -0.90 -2.28 116.25 115.56 1xyk h VAL 215 Ca 0.01 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.29 1xyk h VAL 215 Cb 0.45 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 1xyk h VAL 215 CO -0.07 0.14 0.06 0.74 0.02 0.00 0.00 177.57 178.45 1xyk h THR 216 N 0.76 0.92 -0.52 2.57 2.02 0.17 0.20 112.91 119.03 1xyk h THR 216 Ca 0.23 -0.05 -0.06 0.00 0.77 0.00 0.00 66.41 67.30 1xyk h THR 216 Cb -0.03 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 1xyk h THR 216 CO -0.08 0.03 0.07 -0.61 0.37 0.00 0.00 175.52 175.30 1xyk h GLN 217 N 0.15 0.83 -0.85 6.66 -0.00 -0.80 0.11 115.11 121.20 1xyk h GLN 217 Ca 0.10 -0.19 -0.02 0.00 -0.00 0.00 0.00 58.65 58.53 1xyk h GLN 217 Cb 0.08 -0.11 -0.04 0.00 0.00 0.00 0.00 27.48 27.41 1xyk h GLN 217 CO -0.12 0.79 0.45 1.88 0.00 0.00 0.00 178.83 181.82 1xyk h TYR 218 N 0.79 1.18 0.00 3.99 -1.99 -0.70 -2.39 116.97 117.85 1xyk h TYR 218 Ca 0.16 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.86 1xyk h TYR 218 Cb 0.37 -0.37 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1xyk h TYR 218 CO 0.02 0.83 0.00 1.04 -0.00 0.00 0.00 178.16 180.05 1xyk n GLN 219 N -4.36 0.01 -0.29 4.88 1.13 0.60 -0.35 117.38 119.00 1xyk n GLN 219 Ca 0.08 0.10 0.00 0.00 -1.94 0.00 0.00 57.00 55.25 1xyk n GLN 219 Cb 0.11 -1.52 0.20 0.00 0.11 0.00 0.00 30.24 29.14 1xyk n GLN 219 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1xyk h LYS 220 N 0.00 1.11 0.00 -1.09 1.79 -0.28 -3.42 116.57 114.68 1xyk h LYS 220 Ca 0.00 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1xyk h LYS 220 Cb 0.42 -0.25 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 1xyk h LYS 220 CO 0.00 0.74 0.00 -0.85 -1.08 0.00 0.00 179.45 178.26 1xyk n GLU 221 N -4.42 0.00 0.00 3.15 0.28 -1.25 -4.99 120.64 113.41 1xyk n GLU 221 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.11 1xyk n GLU 221 Cb 0.05 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.92 1xyk n GLU 221 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1xyk n SER 222 N -2.55 0.00 -1.30 -1.84 2.88 -1.07 -0.22 113.62 109.52 1xyk n SER 222 Ca 0.00 0.89 -0.03 0.00 -1.33 0.00 0.00 58.87 58.40 1xyk n SER 222 Cb 0.00 -0.39 0.13 0.00 -0.75 0.00 0.00 64.21 63.20 1xyk n SER 222 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1xyk n GLU 223 N -2.32 2.16 0.00 -1.46 -0.58 0.53 -1.84 120.64 117.13 1xyk n GLU 223 Ca 0.00 -1.33 0.02 0.00 -0.42 0.00 0.00 57.16 55.43 1xyk n GLU 223 Cb 0.00 -1.68 -0.00 0.00 -0.57 0.00 0.00 31.44 29.19 1xyk n GLU 223 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xyk n ALA 224 N 0.05 2.48 -0.13 0.62 0.00 0.01 -4.31 120.51 119.23 1xyk n ALA 224 Ca 0.18 -0.32 -0.28 0.00 0.00 0.00 0.00 53.44 53.02 1xyk n ALA 224 Cb 0.82 -0.14 -0.10 0.00 0.00 0.00 0.00 19.45 20.04 1xyk n ALA 224 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1xyk n TYR 225 N -0.41 0.12 1.44 0.00 4.19 0.69 -4.44 117.16 118.76 1xyk n TYR 225 Ca 0.02 0.05 0.08 0.00 3.31 0.00 0.00 57.90 61.36 1xyk n TYR 225 Cb 0.08 -0.99 0.47 0.00 0.49 0.00 0.00 39.34 39.39 1xyk n TYR 225 CO 0.00 0.00 0.00 0.66 0.91 0.00 0.00 176.86 178.43 1xyk n TYR 226 N -4.28 0.00 -4.29 2.98 4.02 -0.76 -4.78 117.16 110.04 1xyk n TYR 226 Ca -0.50 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.21 1xyk n TYR 226 Cb 0.85 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 40.08 1xyk n TYR 226 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1xyk s GLN 227 N -2.00 1.55 0.39 -0.72 -1.52 -1.26 -5.01 119.66 111.09 1xyk s GLN 227 Ca 0.24 -1.87 0.00 0.00 -1.95 0.00 0.00 55.36 51.77 1xyk s GLN 227 Cb 0.11 0.08 0.00 0.00 -0.22 0.00 0.00 33.01 32.98 1xyk s GLN 227 CO 0.18 -0.48 0.00 0.54 -0.25 0.00 0.00 175.29 175.28 1xyk n ARG 228 N -0.52 -4.82 0.31 2.91 5.12 -1.26 -4.73 116.66 113.67 1xyk n ARG 228 Ca 0.03 3.50 -0.13 0.00 -1.93 0.00 0.00 57.85 59.32 1xyk n ARG 228 Cb 0.65 -3.87 -0.06 0.00 -1.16 0.00 0.00 32.46 28.01 1xyk n ARG 228 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1xyk h GLY 229 N 2.61 -0.87 -5.12 -0.13 0.00 -1.97 -3.41 103.07 94.19 1xyk h GLY 229 Ca 0.00 0.32 -0.26 0.00 0.00 0.00 0.00 47.33 47.39 1xyk h GLY 229 CO 0.00 -0.32 -0.55 0.00 0.00 0.00 0.00 176.54 175.68 1xyk n ALA 230 N -2.66 -0.73 -0.55 3.60 0.00 -1.26 -5.22 120.51 113.70 1xyk n ALA 230 Ca -0.10 -1.66 0.00 0.00 0.00 0.00 0.00 53.44 51.68 1xyk n ALA 230 Cb 0.33 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1xyk n ALA 230 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93